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The Dianions of Phenanthrene and 1,2,3,4‐Dibenzocyclooctatetraene
Author(s) -
Müllen Klaus
Publication year - 1978
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19780610412
Subject(s) - chemistry , delocalized electron , phenanthrene , charge density , ring (chemistry) , spin density , charge (physics) , spectral line , metal , computational chemistry , crystallography , stereochemistry , organic chemistry , condensed matter physics , physics , quantum mechanics , astronomy
The dianions of phenanthrene and 1,2,3,4‐dibenzocyclooctatetraene have been prepared by metal reduction of the neutral compounds and characterized via the study of their 1 H‐ and 13 C‐NMR. spectra. A description of the charge distribution can be achieved which is consistent with both MO‐models and the spin density distribution of the corresponding radical anions. Thus, the dianion of 1,2,3,4‐dibenzocyclooctatetraene appears as a π‐bond delocalized species having its excess charge mainly localized in the eight membered ring.